%chk=000195737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195737

0 1
O 4.502666 -0.920236 0.690798
O 0.581901 2.187937 1.549618
N 0.329971 1.351046 -0.574909
N -2.704897 -3.253426 -1.909631
N -1.832875 1.239558 -1.618615
C 0.380384 -1.239070 -2.461743
C 0.017167 0.214511 -2.814919
C -0.786155 -2.013913 -1.966738
C -0.544083 0.963318 -1.633803
C -1.098087 -2.294406 -0.583687
C -2.307364 -3.070807 -0.576115
C -1.776099 -2.597673 -2.744664
C 1.773655 1.151556 -0.678861
C -0.186826 1.956899 0.640272
C -1.626328 2.238809 0.616121
C -2.407463 1.886557 -0.508837
C -0.493345 -1.969654 0.644693
C -2.900548 -3.522522 0.621037
C 2.376776 0.155684 0.101200
C 2.513114 1.961523 -1.547070
C -1.078667 -2.411765 1.818088
C -2.238428 2.869225 1.722761
C -3.795293 2.176299 -0.525559
C 3.765685 -0.000357 0.004744
C -2.271437 -3.182578 1.804789
C 3.900419 1.765026 -1.636195
C 4.537448 0.793104 -0.876268
C -3.594851 3.146046 1.697641
C -4.370604 2.797612 0.568865
C 3.876677 -1.694906 1.784125
C 4.902317 -2.797029 1.999426
C 3.694281 -0.782828 2.984181
H 1.198541 -1.257471 -1.709106
H 0.806796 -1.726560 -3.365134
H -0.742973 0.214737 -3.632291
H 0.904844 0.738462 -3.226704
H -1.889218 -2.593596 -3.813667
H -3.530645 -3.725466 -2.217368
H 0.420312 -1.370227 0.660036
H -3.813238 -4.107489 0.605381
H 1.769588 -0.453188 0.774245
H 2.033803 2.747976 -2.122991
H -1.620742 3.130730 2.586397
H -0.631144 -2.165372 2.778503
H -4.381100 1.897548 -1.401510
H -2.692989 -3.505020 2.755990
H 4.484910 2.394102 -2.309692
H 5.611874 0.634631 -0.928853
H -4.073441 3.632472 2.545099
H -5.437840 3.024390 0.568849
H 2.910648 -2.096646 1.408524
H 4.611641 -3.457734 2.823221
H 5.025415 -3.408107 1.095576
H 5.892317 -2.381051 2.233615
H 3.316924 -1.329230 3.855308
H 2.990550 0.037275 2.777275
H 4.641156 -0.307906 3.275352


%chk=000195737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195737

0 1
O 4.763733 -0.759458 0.691013
O 0.818266 2.092556 1.642747
N 0.415542 1.289918 -0.541906
N -2.709967 -3.580434 -2.191095
N -1.805171 1.224636 -1.485709
C 0.293846 -1.350679 -2.455862
C -0.028969 0.155302 -2.762180
C -0.895853 -2.187993 -2.053130
C -0.512536 0.942525 -1.561708
C -1.445907 -2.374813 -0.718547
C -2.581838 -3.254018 -0.836407
C -1.693775 -2.940454 -2.916157
C 1.853328 1.133912 -0.733100
C -0.011021 1.868624 0.712863
C -1.450044 2.174023 0.778172
C -2.293969 1.864565 -0.334573
C -1.090495 -1.893986 0.570493
C -3.351747 -3.655642 0.277566
C 2.554545 0.216324 0.077115
C 2.522763 1.938417 -1.678755
C -1.851890 -2.290071 1.686088
C -1.990322 2.793285 1.935791
C -3.676968 2.190961 -0.268526
C 3.959079 0.100755 -0.062040
C -2.971839 -3.162030 1.541940
C 3.922028 1.790867 -1.828960
C 4.641196 0.881091 -1.031572
C -3.357126 3.110619 1.987206
C -4.199933 2.808072 0.879161
C 4.168775 -1.495392 1.850742
C 5.192859 -2.584855 2.180781
C 3.910451 -0.529832 3.020784
H 1.081878 -1.401321 -1.681857
H 0.740709 -1.767071 -3.378720
H -0.844196 0.203217 -3.501844
H 0.872882 0.613592 -3.203716
H -1.609813 -3.067495 -3.994489
H -3.420247 -4.192204 -2.585796
H -0.237529 -1.218849 0.698820
H -4.213556 -4.324286 0.170661
H 2.004103 -0.356598 0.825755
H 1.966156 2.675895 -2.265507
H -1.314123 3.015243 2.767824
H -1.588857 -1.918485 2.682689
H -4.305732 1.938560 -1.127513
H -3.547375 -3.449967 2.428816
H 4.455667 2.404196 -2.562753
H 5.725327 0.768191 -1.125649
H -3.777392 3.590687 2.877328
H -5.266279 3.055904 0.925466
H 3.222001 -1.967760 1.514590
H 4.831826 -3.205602 3.020336
H 5.363767 -3.237130 1.307579
H 6.156457 -2.129550 2.469114
H 3.473060 -1.081533 3.873189
H 3.216970 0.284395 2.748683
H 4.862356 -0.078027 3.351561


